SHP-627

Search structure
Synonyms:
Status: Phase 2
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: C6V7ZU2NPR

Structure
InChI Key UIWZIDIJCUEOMT-PKNBQFBNSA-N
Smile C#CCOc1ccc(/C=C/C(=O)Nc2ccccc2C(=O)O)cc1OC
InChI
InChI=1S/C20H17NO5/c1-3-12-26-17-10-8-14(13-18(17)25-2)9-11-19(22)21-16-7-5-4-6-15(16)20(23)24/h1,4-11,13H,12H2,2H3,(H,21,22)(H,23,24)/b11-9+

Physicochemical Descriptors

Property Name Value
Molecular Formula C20H17NO5
Molecular Weight 351.36
AlogP 3.06
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 7.0
Polar Surface Area 84.86
Molecular species ACID
Aromatic Rings 2.0
Heavy Atoms 26.0

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Scleroderma, Diffuse 2 D045743 ClinicalTrials

Related Entries

Scaffolds

Cross References

Resources Reference
ChEMBL CHEMBL1075834
FDA SRS C6V7ZU2NPR
SureChEMBL SCHEMBL1590608
ZINC ZINC000049050436
CONTENTS